SCHEMBL2363683

SCHEMBL2363683

CCN(Cc1ccccn1)C(c1ccc(F)cc1)C1CCN(c2ncnc3[nH]nc(Br)c23)CC1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 16/20 0.37
OPRM1 P35372 1/20 0.36
LRRK2 Q5S007 3/20 0.35
STK4 Q13043 1/20 0.33
STK3 Q13188 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL473362 0.91 RPS6KB1 (0.39) RPS6KB1OPRM1LRRK2STK4STK3
SCHEMBL10159660 0.81 OPRM1 (0.36) RPS6KB1OPRM1LRRK2STK4STK3
SCHEMBL473326 0.79 RPS6KB1 (0.39) RPS6KB1LRRK2STK4STK3
SCHEMBL1791832 0.78 RPS6KB1 (0.39) RPS6KB1
SCHEMBL15252580 0.76 AKT2 (0.41) RPS6KB1
SCHEMBL473394 0.76 RPS6KB1 (0.59) RPS6KB1
SCHEMBL473299 0.74 RPS6KB1 (0.65) RPS6KB1LRRK2
SCHEMBL473458 0.73 RPS6KB1 (0.37) RPS6KB1LRRK2
SCHEMBL473316 0.72 AKT2 (0.41) RPS6KB1
SCHEMBL10158494 0.68 RPS6KB1 (0.35) RPS6KB1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7999006-B2 Anticancer agents; mitogen-activated protein kinases (MEK) EXELIXIS, INC. (US) 2011-08-16 US disclosed